trisodium (3Z)-5-benzamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: trisodium (3Z)-5-benzamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: trisodium (3Z)-5-benzamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: trisodium (3Z)-5-benzamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: trisodium (3Z)-5-benzamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: trisodium (3Z)-5-benzamido-4-keto-3-[[4-methoxy-3-(2-sulfatoethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonate Formula: C26H20N3Na3O15S4 MolecularWeight: 811.67741

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)NC(=O)C4=CC=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)NC(=O)C4=CC=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H23N3O15S4.3Na/c1-43-20-8-7-17(13-21(20)45(32,33)10-9-44-48(40,41)42)28-29-24-22(47(37,38)39)12-16-11-18(46(34,35)36)14-19(23(16)25(24)30)27-26(31)15-5-3-2-4-6-15;;;/h2-8,11-14,28H,9-10H2,1H3,(H,27,31)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/b29-24+;;;